1-chloro-1-(1-chloropentoxy)pentane

C10H20Cl2O — CID 19002436

IUPAC1-chloro-1-(1-chloropentoxy)pentane
SMILESCCCCC(Cl)OC(Cl)CCCC
InChIInChI=1S/C10H20Cl2O/c1-3-5-7-9(11)13-10(12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyCWPQACLWSSNDDL-UHFFFAOYSA-N
MW227.17 g/mol
LogP4.51
Rot. Bonds8

About 1-chloro-1-(1-chloropentoxy)pentane

1-chloro-1-(1-chloropentoxy)pentane (PubChem CID 19002436) has the molecular formula C10H20Cl2O and a molecular weight of 227.17 g/mol. Its IUPAC name is 1-chloro-1-(1-chloropentoxy)pentane.

Molecular Properties

Compound Name1-chloro-1-(1-chloropentoxy)pentane
PubChem CID19002436
Molecular FormulaC10H20Cl2O
Molecular Weight227.17 g/mol
Exact Mass226.09
IUPAC Name1-chloro-1-(1-chloropentoxy)pentane
SMILESCCCCC(Cl)OC(Cl)CCCC
InChIInChI=1S/C10H20Cl2O/c1-3-5-7-9(11)13-10(12)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyCWPQACLWSSNDDL-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(1-chloropentoxy)pentane?
The IUPAC name of 1-chloro-1-(1-chloropentoxy)pentane (CID 19002436) is 1-chloro-1-(1-chloropentoxy)pentane.
What is the SMILES notation for 1-chloro-1-(1-chloropentoxy)pentane?
The canonical SMILES for 1-chloro-1-(1-chloropentoxy)pentane is CCCCC(Cl)OC(Cl)CCCC.
What is the InChIKey of 1-chloro-1-(1-chloropentoxy)pentane?
The InChIKey is CWPQACLWSSNDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2O/c1-3-5-7-9(11)13-10(12)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-chloro-1-(1-chloropentoxy)pentane?
1-chloro-1-(1-chloropentoxy)pentane has a molecular weight of 227.17 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(1-chloropentoxy)pentane is sourced from PubChem (CID 19002436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).